2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine

C16H15Cl2N — CID 82579109

IUPAC2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine
SMILESCc1ccc2c(c1)C(CCN)c1c(Cl)cc(Cl)cc1-2
InChIInChI=1S/C16H15Cl2N/c1-9-2-3-11-13(6-9)12(4-5-19)16-14(11)7-10(17)8-15(16)18/h2-3,6-8,12H,4-5,19H2,1H3
InChIKeyZOMXNPSNEUGBBU-UHFFFAOYSA-N
MW292.21 g/mol
LogP4.76
Rot. Bonds2

About 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine

2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine (PubChem CID 82579109) has the molecular formula C16H15Cl2N and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine
PubChem CID82579109
Molecular FormulaC16H15Cl2N
Molecular Weight292.21 g/mol
Exact Mass291.06
IUPAC Name2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine
SMILESCc1ccc2c(c1)C(CCN)c1c(Cl)cc(Cl)cc1-2
InChIInChI=1S/C16H15Cl2N/c1-9-2-3-11-13(6-9)12(4-5-19)16-14(11)7-10(17)8-15(16)18/h2-3,6-8,12H,4-5,19H2,1H3
InChIKeyZOMXNPSNEUGBBU-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine?
The IUPAC name of 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine (CID 82579109) is 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine?
The canonical SMILES for 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine is Cc1ccc2c(c1)C(CCN)c1c(Cl)cc(Cl)cc1-2.
What is the InChIKey of 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine?
The InChIKey is ZOMXNPSNEUGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N/c1-9-2-3-11-13(6-9)12(4-5-19)16-14(11)7-10(17)8-15(16)18/h2-3,6-8,12H,4-5,19H2,1H3.
What are the key properties of 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine?
2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine has a molecular weight of 292.21 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dichloro-7-methyl-9H-fluoren-9-yl)ethanamine is sourced from PubChem (CID 82579109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).